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Updated: Aug 17, 2026

Mass Spectrometry and Luminogenic-based Approaches to Characterize Phase I Metabolic Competency of In Vitro Cell Cultures
Published on: March 28, 2017
An analysis of the relative occurrence of N-demethylation and N-oxidation in xenobiotic metabolism using
E M Gifford1, M A Johnson, D G Kaiser
1Department of Chemistry, Kent State University, OH 44242, USA
Abstract:
The relative occurrence of N-demethylation and N-oxidation in a structurally diverse set of N-methyl tertiary amines was examined using structure-reactivity maps. A structure-reactivity map of the data indicated important structural features useful for predicting the relative occurrence of these reactions. A steric index which describes the degree of steric hinderance at the N-methyl reaction site is defined. A QSAR between the relative occurrence of N-demethylation and N-oxidation of N-methyl tertiary amines and the steric index was developed.
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